3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

C17H11F3N2O2S — CID 16759559

IUPAC3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCc1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3
InChIInChI=1S/C17H11F3N2O2S/c1-9-2-3-10-4-6-12-13-8-11(17(18,19)20)5-7-14(13)25(23,24)22-16(12)15(10)21-9/h2-8,22H,1H3
InChIKeyMXKZFNJSAXLWNC-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.34
Rot. Bonds

About 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide

3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (PubChem CID 16759559) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.

Molecular Properties

Compound Name3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
PubChem CID16759559
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
SMILESCc1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3
InChIInChI=1S/C17H11F3N2O2S/c1-9-2-3-10-4-6-12-13-8-11(17(18,19)20)5-7-14(13)25(23,24)22-16(12)15(10)21-9/h2-8,22H,1H3
InChIKeyMXKZFNJSAXLWNC-UHFFFAOYSA-N
XLogP4.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide with MolForge

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Related Compounds

5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 2848041
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
9-fluoro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759921
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
9-trifluoromethyl-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759909
3-Ethyl-2-[3''-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)-quinoxaline
CID 46186945
2-[3''-(Ethylsulfonyl)biphenyl-4-yl]-3-methyl-5-(trifluoromethyl)-quinoxaline
CID 46202903
N-Methyl-4''-[3-methyl-5-(trifluoromethyl)quinoxalin-2-yl]biphenyl-3-sulfonamide
CID 46202904
3-Methyl-2-(3'-(methylsulfonyl)biphenyl-4-yl)-5-(trifluoromethyl)quinoxaline
CID 46206336
3-Methyl-2-[4''-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)-quinoxaline
CID 46202578

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The IUPAC name of 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CID 16759559) is 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide.
What is the SMILES notation for 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The canonical SMILES for 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is Cc1ccc2ccc3c(c2n1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-3.
What is the InChIKey of 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
The InChIKey is MXKZFNJSAXLWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c1-9-2-3-10-4-6-12-13-8-11(17(18,19)20)5-7-14(13)25(23,24)22-16(12)15(10)21-9/h2-8,22H,1H3.
What are the key properties of 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide?
3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide has a molecular weight of 364.35 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide is sourced from PubChem (CID 16759559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).